SCHEMBL11029023

SCHEMBL11029023

Cc1ccccc1C(C#N)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSP90AA1 P07900 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACP3 P15309 1/20 0.39
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6935251 0.84 MEN1 (0.43) L3MBTL1LMNAALDH1A1MAPTNPSR1
SCHEMBL31043345 0.84 MEN1 (0.43) L3MBTL1LMNAALDH1A1MAPTNPSR1
SCHEMBL20723077 0.81 ALDH1A1 (0.43) L3MBTL1LMNAALDH1A1MAPTNPSR1
SCHEMBL29874823 0.80 CES2 (0.44) L3MBTL1TDP1LMNAALDH1A1NPSR1
SCHEMBL19926179 0.80 CES2 (0.44) L3MBTL1TDP1LMNAALDH1A1NPSR1
SCHEMBL5505530 0.77 L3MBTL1 (0.61) L3MBTL1TDP1LMNAALDH1A1NPSR1
SCHEMBL16466618 0.77 KMT2A (0.44) L3MBTL1LMNAALDH1A1MAPTNPSR1
SCHEMBL7198527 0.77 TDP1 (0.47) L3MBTL1TDP1LMNAALDH1A1MAPT
SCHEMBL4579109 0.75 GAA (0.58) L3MBTL1TDP1LMNAALDH1A1MAPT
SCHEMBL6518870 0.75 PGR (0.49) L3MBTL1TDP1HSP90AA1ATMLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4469688-A INSECTICIDES, MITICIDES UNION CARBIDE CORPORATION (US) 1984-09-04 US disclosed